| SpectraBase Compound ID | 4iPK4VxGyf1 |
|---|---|
| InChI | InChI=1S/C14H7F5O2/c15-10-5-11(16)7-12(6-10)21-13(20)8-1-3-9(4-2-8)14(17,18)19/h1-7H |
| InChIKey | YPKDYOGTLDDGTD-UHFFFAOYSA-N |
| Mol Weight | 302.2 g/mol |
| Molecular Formula | C14H7F5O2 |
| Exact Mass | 302.03662 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | bqRPobSPIV |
|---|---|
| Name | 4-Trifluoromethylbenzoic acid, 3,5-difluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.036620278 u |
| Formula | C14H7F5O2 |
| InChI | InChI=1S/C14H7F5O2/c15-10-5-11(16)7-12(6-10)21-13(20)8-1-3-9(4-2-8)14(17,18)19/h1-7H |
| InChIKey | YPKDYOGTLDDGTD-UHFFFAOYSA-N |
| Molecular Weight | 302.200 g/mol |
| SMILES | C1=CC(C(OC2=CC(=CC(=C2)F)F)=O)=CC=C1C(F)(F)F |